4-[[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[[1-(2-thienylsulfonyl)isonipecotoyl]amino]methyl]benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O5S2/c21-17(19-12-13-3-5-15(6-4-13)18(22)23)14-7-9-20(10-8-14)27(24,25)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2,(H,19,21)(H,22,23)